7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)xanthine Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C=N3)CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C=N3)CC4=CC=CO4

InChI

InChI=1S/C17H14N4O3/c22-16-14-15(18-11-20(14)10-13-7-4-8-24-13)21(17(23)19-16)9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,22,23)